108 Lattice="12.409694858287788 0.0 0.0 0.0 12.409694858287788 0.0 0.0 0.0 12.409694858287788" Properties=species:S:1:pos:R:3:forces:R:3 energy=-379.08042628811086 stress="-0.00689016557310618 0.0003146388284980315 0.00029738519795123114 0.0003146388284980315 -0.006191496215949388 -9.9285999075617e-05 0.00029738519795123114 -9.9285999075617e-05 -0.006710748482509398" free_energy=-379.08042628811086 pbc="F F F" U 0.03659434 0.01071783 0.01090839 1.13578092 1.15395906 1.13358005 U 2.04427768 2.06591481 0.02748338 -0.28480325 -0.13628352 -0.69685187 U 2.04494707 0.02629317 2.04836494 -0.24527144 -0.72609131 -0.23035216 U 0.03875849 2.04268577 2.06334449 -0.66072103 -0.16632217 -0.23297521 U 4.20944179 0.01048811 0.02223067 0.14656976 0.40283575 0.32211650 U 6.13746816 2.04001435 0.02188781 0.00960142 -0.21625712 -0.75575905 U 6.17120164 0.01406769 2.10883178 0.01916535 -0.83356976 -0.26111348 U 4.13966057 2.04506759 2.04489839 0.05516446 -0.34020394 -0.41715003 U 8.29966674 0.02023066 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10.36866083 4.17966220 10.34728551 -0.58053179 0.14289105 -0.60203435 U 8.27456671 6.16249765 10.32627712 0.32540876 -0.10403071 0.64243449 U 0.01409762 8.30950138 8.29788054 -0.47216385 0.34396554 0.19562966 U 2.14189895 10.38179017 8.27999673 -0.06887933 0.55801176 0.14186736 U 2.06000052 8.28815106 10.30144066 -0.23740661 0.33934477 0.63044514 U 0.01666536 10.30958503 10.31545476 1.03649187 -1.21107379 -1.11415297 U 4.11995145 8.24244054 8.24034027 0.23354228 0.47593198 0.27006955 U 6.21615824 10.32285699 8.30963267 -0.02468688 0.63690427 0.23156003 U 6.19561907 8.28879532 10.31478356 0.00663928 0.30022574 0.75634531 U 4.07715121 10.30275466 10.34816412 0.01223639 -0.41374185 -0.50248857 U 8.24961013 8.26380742 8.28851840 0.82442576 0.51806776 0.61641622 U 10.35488558 10.37731529 8.26381392 -0.95138845 -0.88679067 -0.16079974 U 10.38021721 8.28585369 10.35494863 -0.92948604 -0.11324982 -0.97620379 U 8.26927907 10.35601722 10.35960023 -0.04268329 -0.86909115 -0.89211096